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运用拼合原理并根据构效关系研究结果,设计了香豆素噻唑烷二酮类化合物,合成方法是以甲基取代的香豆素为原料,经NBS溴化后,再与5-(4-羟基苄叉)-噻唑烷-2,4-二酮在NaH作用下缩合得到,其中中间体5-(4-羟基苄叉)-噻唑烷-2,4-二酮是由噻唑烷二酮与对羟基苯甲醛在哌啶催化下缩合得到,共合成了5-[4-(香豆素-7-亚甲氧基)苄叉]-噻唑烷-2,4-二酮、5-[4-(4-甲基香豆素-7-亚甲氧基)苄叉]-噻唑烷-2,4-二酮、5-[4-(香豆素-6-亚甲氧基)苄叉]-噻唑烷-2,4-二酮、5-[4-(7-甲氧基香豆素-4-亚甲氧基)苄叉]-噻唑烷-2,4-二酮、5-[4-(3-溴香豆素-7-亚甲氧基)苄叉]-噻唑烷-2,4-二酮、5-[4-(3-溴-4-甲基香豆素-7-亚甲氧基)苄叉]-噻唑烷-2,4-二酮6个香豆素噻唑烷二酮类化合物,结构均经IR1、HNMR、MS确定,两步反应合成目标化合物总产率分别为10.4%、13.1%、7.1%、16.0%、22.0%、18.0%。 相似文献
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手性噁唑硼烷酮能够催化不对称1,3偶极加成反应并取得很好的效果。手性噁唑硼烷酮以廉价易得的手性氨基酸为原料合成的一系列氮磺酰化氯基酸配体与硼烷原位制备而成.本文主要对手性噁唑硼烷酮的合成,及其不对称诱导机理进行了探讨。 相似文献
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2-噁唑烷酮合成的工艺研究 总被引:1,自引:0,他引:1
本文研究了2-唑烷酮的合成,产品收率为58.2%,纯度为86.4%。对原料配比、溶剂用量、反应温度及反应时间等影响因素进行了探讨,确定了较佳的反应条件。 相似文献
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Wojciech Bocian Elbieta Bednarek Katarzyna Michalska 《International journal of molecular sciences》2021,22(13)
Molecular modeling (MM) results for tedizolid and radezolid with heptakis-(2,3-diacetyl-6-sulfo)-β-cyclodextrin (HDAS-β-CD) are presented and compared with the results previously obtained for linezolid and sutezolid. The mechanism of interaction of chiral oxazolidinone ligands belonging to a new class of antibacterial agents, such as linezolid, tedizolid, radezolid, and sutezolid, with HDAS-β-CD based on capillary electrokinetic chromatography (cEKC), nuclear magnetic resonance (NMR) spectroscopy, and MM methods was described. Principles of chiral separation of oxazolidinone analogues using charged single isomer derivatives of cyclodextrin by the cEKC method were presented, including the selection of the optimal chiral selector and separation conditions, complex stoichiometry, and binding constants, which provided a comprehensive basis for MM studies. In turn, NMR provided, where possible, direct information on the geometry of the inclusion complexes and also provided the necessary structural information to validate the MM calculations. Consequently, MM contributed to the understanding of the structure of diastereomeric complexes, the thermodynamics of complexation, and the visualization of their structures. The most probable mean geometries of the studied supramolecular complexes and their dynamics (geometry changes over time) were determined by molecular dynamics methods. Oxazolidinone ligands have been shown to complex mainly the inner part of cyclodextrin, while the external binding is less privileged, which is consistent with the conclusions of the NMR studies. Enthalpy values of binding of complexes were calculated using long-term molecular dynamics in explicit water as well as using molecular mechanics, the Poisson–Boltzmann or generalized Born, and surface area continuum solvation (MM/PBSA and MM/GBSA) methods. Computational methods predicted the effect of changes in pH and composition of the solution on the strength and complexation process, and it adapted the conditions selected as optimal during the cEKC study. By changing the dielectric constant in the MM/PBSA and MM/GBSA calculations, the effect of changing the solution to methanol/acetonitrile was investigated. A fairly successful attempt was made to predict the chiral separation of the oxazolidinones using the modified cyclodextrin by computational methods. 相似文献
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Laiqi Zhang John M. Winterbottom Adrian P. Boyes Sugat Raymahasay 《Journal of chemical technology and biotechnology (Oxford, Oxfordshire : 1986)》1998,72(3):264-272
The hydrogenation of cinnamaldehyde was investigated using a 5% Pd/C catalyst in a 250 cm3 stirred tank reactor and 500 cm3 autoclave. The experiments were carried out at 273–343 K and 0·1–1·1 MPa. Non-polar solvents, e.g. toluene, decane, methylcyclohexane, decalin, ether and heptane, and polar solvents such as methanol, ethanol, propan-1-o1, propan-2-ol, butan-1-ol and butan-2-ol were used to study the selectivity with respect to hydrocinnamaldehyde formation, the reaction kinetics and mass transfer. The additives, such as potassium acetate, ferrous chloride, ferrous sulphate and quinoline were incorporated into the catalyst in order to improve the catalyst selectivity, which was observed especially in the case of potassium acetate. © 1998 SCI 相似文献
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使用双氧水在一定温度下对钛基金属-有机框架材料NH2-MIL-125进行改性处理,制备得到一系列材料,系统地研究了改性方法及改性条件对材料性能的影响。结果表明,经改性处理后的材料,在可见光催化苯甲醇氧化反应中的催化速率有显著提高;同时,改性过程中的双氧水用量及改性温度对材料的结构、性质和光催化性能都有十分重要的影响。当双氧水为10 ml、改性温度为50℃时,改性材料具有优异的催化活性、选择性以及良好的稳定性,其催化速率与NH2-MIL-125相比提高近6倍。 相似文献